1.0 2020-03-26 01:52:59 UTC 2020-04-22 19:30:44 UTC BMDB0101596 TG(24:0/20:2n6/24:0) 1-Lignoceroyl-2-eicosadienoyl-3-lignoceroyl-glycerol 1-Tetracosanoyl-2-(11Z,14Z-eicosadienoyl)-3-tetracosanoyl-glycerol TAG(24:0/20:2/24:0) TAG(24:0/20:2n6/24:0) TAG(24:0/20:2W6/24:0) TAG(68:2) TG(24:0/20:2/24:0) TG(24:0/20:2W6/24:0) TG(68:2) Tracylglycerol(24:0/20:2/24:0) Tracylglycerol(24:0/20:2n6/24:0) Tracylglycerol(24:0/20:2W6/24:0) Tracylglycerol(68:2) Triacylglycerol Triglyceride Tag(24:0/20:2(11Z,14Z)/24:0) Triacylglycerol(24:0/20:2(11Z,14Z)/24:0) Triacylglycerol(24:0/20:2/24:0) Triacylglycerol(24:0/20:2n6/24:0) Triacylglycerol(24:0/20:2W6/24:0) Triacylglycerol(68:2) TG(24:0/20:2(11Z,14Z)/24:0) TG(24:0/20:2n6/24:0) C71H134O6 1083.847 1083.018042035 2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(tetracosanoyloxy)propyl tetracosanoate 2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(tetracosanoyloxy)propyl tetracosanoate [H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,68H,4-17,19-20,22-26,28-29,31-67H2,1-3H3/b21-18-,30-27- WXTOAYRGDQADRY-QYIMKBBWSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.65 ALOGPS logs -8.06 ALOGPS logp 27.09 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(tetracosanoyloxy)propyl tetracosanoate ChemAxon average_mass 1083.847 ChemAxon mono_mass 1083.018042035 ChemAxon smiles [H]C(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C71H134O6 ChemAxon inchi InChI=1S/C71H134O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-40-42-45-48-51-54-57-60-63-69(72)75-66-68(77-71(74)65-62-59-56-53-50-47-44-39-30-27-24-21-18-15-12-9-6-3)67-76-70(73)64-61-58-55-52-49-46-43-41-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,68H,4-17,19-20,22-26,28-29,31-67H2,1-3H3/b21-18-,30-27- ChemAxon inchikey WXTOAYRGDQADRY-QYIMKBBWSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 335.54 ChemAxon polarizability 149.29 ChemAxon rotatable_bond_count 68 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 196495 Specdb::MsMs 565753 Specdb::MsMs 565754 Specdb::MsMs 565755 Specdb::MsMs 922819 Specdb::MsMs 922820 Specdb::MsMs 922821 Specdb::MsMs 2450554 Specdb::MsMs 2450555 Specdb::MsMs 2450556 Specdb::MsMs 2488485 Specdb::MsMs 2488486 Specdb::MsMs 2488487 Specdb::MsMs 2611202 Specdb::MsMs 2611203 Specdb::MsMs 2611204 Specdb::MsMs 2716809 Specdb::MsMs 2716810 Specdb::MsMs 2716811 Specdb::MsMs 3008026 Specdb::MsMs 3008027 Specdb::MsMs 3008028 131758256